#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x94 n TYR 2 N 0.00 0.93 -0.11 2.03 4.01 -1.26 -4.94 117.16 117.82 1x94 n TYR 2 Ca 0.00 -1.54 -0.13 0.00 -0.16 0.00 0.00 57.90 56.07 1x94 n TYR 2 Cb 0.00 -0.23 -0.09 0.00 -0.31 0.00 0.00 39.34 38.71 1x94 n TYR 2 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1x94 h GLN 3 N 1.76 -0.41 -0.50 -0.72 1.08 -2.05 0.65 115.11 114.92 1x94 h GLN 3 Ca -0.05 0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.21 1x94 h GLN 3 Cb 1.47 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 28.95 1x94 h GLN 3 CO 0.23 -0.27 0.28 -0.44 -0.95 0.00 0.00 178.83 177.68 1x94 h ASP 4 N -0.42 0.42 -0.24 1.46 3.32 -1.98 0.23 116.42 119.20 1x94 h ASP 4 Ca 0.08 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1x94 h ASP 4 Cb 0.61 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1x94 h ASP 4 CO -0.56 0.29 0.14 -0.07 -1.72 0.00 0.00 179.24 177.32 1x94 h LEU 5 N 0.54 0.30 -0.48 1.55 3.38 -1.84 0.20 115.31 118.95 1x94 h LEU 5 Ca 0.21 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1x94 h LEU 5 Cb 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1x94 h LEU 5 CO -0.13 0.29 0.24 0.40 0.09 0.00 0.00 178.44 179.33 1x94 h ILE 6 N 0.29 1.18 -0.40 1.22 2.04 -0.52 -2.46 117.51 118.85 1x94 h ILE 6 Ca 0.09 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 1x94 h ILE 6 Cb 0.05 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1x94 h ILE 6 CO -0.01 0.20 -0.02 -0.09 0.00 0.00 0.00 178.15 178.23 1x94 h ARG 7 N 0.63 0.66 -1.00 2.37 2.43 -0.33 -2.88 114.38 116.25 1x94 h ARG 7 Ca 0.17 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1x94 h ARG 7 Cb 0.10 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 1x94 h ARG 7 CO -0.02 0.69 0.66 0.77 -1.51 0.00 0.00 179.97 180.55 1x94 h SER 8 N 0.62 1.11 -0.59 -3.80 0.02 -0.15 0.62 113.55 111.39 1x94 h SER 8 Ca 0.12 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1x94 h SER 8 Cb 0.41 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1x94 h SER 8 CO 0.02 0.77 0.31 -0.33 -1.14 0.00 0.00 176.83 176.47 1x94 h GLU 9 N 1.30 0.83 -0.46 3.45 4.39 -1.29 0.26 114.58 123.05 1x94 h GLU 9 Ca 0.39 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.94 1x94 h GLU 9 Cb -0.04 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 1x94 h GLU 9 CO -0.11 0.64 0.10 -0.07 -1.16 0.00 0.00 179.01 178.41 1x94 h LEU 10 N 0.80 0.71 -0.89 1.33 4.07 -1.03 -1.28 115.31 119.02 1x94 h LEU 10 Ca 0.21 -0.24 -0.10 0.00 0.08 0.00 0.00 57.88 57.82 1x94 h LEU 10 Cb 0.06 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 1x94 h LEU 10 CO -0.03 0.77 -0.31 0.71 -1.08 0.00 0.00 178.44 178.49 1x94 h THR 11 N 0.62 1.28 -0.67 0.22 1.35 0.46 -1.90 112.91 114.27 1x94 h THR 11 Ca 0.14 -1.37 -0.02 0.00 -0.55 0.00 0.00 66.41 64.61 1x94 h THR 11 Cb 0.34 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 1x94 h THR 11 CO 0.00 0.43 0.36 -0.08 -0.25 0.00 0.00 175.52 175.98 1x94 h GLU 12 N 0.39 0.95 -0.74 4.72 4.81 -0.11 0.52 114.58 125.12 1x94 h GLU 12 Ca 0.05 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1x94 h GLU 12 Cb 0.74 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 1x94 h GLU 12 CO 0.06 0.72 0.49 0.00 -0.73 0.00 0.00 179.01 179.55 1x94 h ALA 13 N 1.17 1.50 -0.42 2.92 0.00 -0.93 0.26 119.26 123.76 1x94 h ALA 13 Ca 0.24 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1x94 h ALA 13 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1x94 h ALA 13 CO -0.04 0.45 0.03 0.00 0.00 0.00 0.00 179.25 179.70 1x94 h ALA 14 N 1.55 0.56 -0.13 0.00 0.00 -0.45 -0.71 119.26 120.08 1x94 h ALA 14 Ca 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1x94 h ALA 14 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1x94 h ALA 14 CO -0.07 0.31 0.05 0.22 0.00 0.00 0.00 179.25 179.77 1x94 h ASP 15 N 0.56 0.18 -0.29 0.00 3.58 -0.07 -1.21 116.42 119.17 1x94 h ASP 15 Ca 0.12 -0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.44 1x94 h ASP 15 Cb 0.43 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 1x94 h ASP 15 CO 0.01 0.29 0.11 0.58 -2.88 0.00 0.00 179.24 177.35 1x94 h VAL 16 N 0.06 0.93 -0.92 2.25 2.07 -0.88 -1.71 116.25 118.04 1x94 h VAL 16 Ca 0.04 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1x94 h VAL 16 Cb 0.16 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1x94 h VAL 16 CO -0.00 0.04 0.61 0.25 0.02 0.00 0.00 177.57 178.49 1x94 h LEU 17 N 0.24 1.05 0.21 2.57 5.85 -0.99 -1.99 115.31 122.26 1x94 h LEU 17 Ca 0.13 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1x94 h LEU 17 Cb 0.09 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1x94 h LEU 17 CO -0.13 0.76 -0.10 1.56 -0.34 0.00 0.00 178.44 180.19 1x94 h GLN 18 N 1.24 -0.27 -0.31 1.25 1.08 -0.66 -1.93 115.11 115.51 1x94 h GLN 18 Ca 0.34 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.60 1x94 h GLN 18 Cb -0.13 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 1x94 h GLN 18 CO -0.08 -0.11 0.21 0.87 -0.95 0.00 0.00 178.83 178.78 1x94 h LYS 19 N -0.38 0.24 0.03 1.46 1.57 -1.11 -1.02 116.57 117.36 1x94 h LYS 19 Ca -0.03 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1x94 h LYS 19 Cb 0.29 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1x94 h LYS 19 CO 0.05 0.16 -0.02 0.35 -0.57 0.00 0.00 179.45 179.42 1x94 h PHE 20 N 0.24 -0.04 0.00 -1.35 3.57 -1.01 -3.27 116.94 115.09 1x94 h PHE 20 Ca 0.13 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1x94 h PHE 20 Cb 0.22 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1x94 h PHE 20 CO -0.00 0.46 -0.20 1.37 -2.23 0.00 0.00 178.31 177.71 1x94 h LEU 21 N -0.57 0.00 -1.02 0.59 8.10 -1.08 -3.16 115.31 118.17 1x94 h LEU 21 Ca -0.00 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 1x94 h LEU 21 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.74 1x94 h LEU 21 CO 0.01 0.20 -0.31 0.77 -4.11 0.00 0.00 178.44 175.00 1x94 h SER 22 N 0.00 0.00 -3.40 0.17 4.64 -1.29 -3.41 113.55 110.25 1x94 h SER 22 Ca -0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1x94 h SER 22 Cb 0.99 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.98 1x94 h SER 22 CO 0.03 0.31 0.41 -0.62 -0.87 0.00 0.00 176.83 176.09 1x94 s ASP 23 N -6.35 6.70 0.50 4.97 -1.08 -1.20 -4.93 116.67 115.28 1x94 s ASP 23 Ca 0.00 0.77 0.21 0.00 -0.52 0.00 0.00 52.55 53.01 1x94 s ASP 23 Cb 0.11 -2.41 1.27 0.00 -1.46 0.00 0.00 42.92 40.43 1x94 s ASP 23 CO 0.67 -0.58 2.06 0.44 0.52 0.00 0.00 175.17 178.28 1x94 h ASP 24 N 7.99 0.00 0.19 -0.34 5.19 -1.87 -3.05 116.42 124.53 1x94 h ASP 24 Ca -0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1x94 h ASP 24 Cb 1.10 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 1x94 h ASP 24 CO 0.88 0.13 -0.20 -0.74 -3.12 0.00 0.00 179.24 176.18 1x94 h HIS 25 N 0.00 -0.52 -0.90 4.55 2.76 -1.93 -1.11 115.15 118.00 1x94 h HIS 25 Ca -0.00 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.24 1x94 h HIS 25 Cb 0.26 0.20 -0.06 0.00 1.55 0.00 0.00 27.41 29.37 1x94 h HIS 25 CO 0.00 -0.30 0.58 -0.91 -1.30 0.00 0.00 177.93 176.01 1x94 h ASN 26 N -0.42 0.88 -0.38 3.26 -0.26 -1.82 0.18 115.58 117.02 1x94 h ASN 26 Ca 0.00 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.71 1x94 h ASN 26 Cb 0.40 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.46 1x94 h ASN 26 CO -0.05 0.55 0.11 0.40 -1.06 0.00 0.00 177.43 177.38 1x94 h ILE 27 N 0.99 1.20 -0.08 2.81 1.08 -1.47 0.12 117.51 122.15 1x94 h ILE 27 Ca 0.39 -0.70 -0.17 0.00 -0.39 0.00 0.00 64.86 64.00 1x94 h ILE 27 Cb 0.25 0.74 0.01 0.00 -3.07 0.00 0.00 36.82 34.74 1x94 h ILE 27 CO -0.15 0.26 -0.61 0.00 -0.69 0.00 0.00 178.15 176.95 1x94 h ALA 28 N 1.47 0.18 -0.83 1.87 0.00 0.28 -2.79 119.26 119.44 1x94 h ALA 28 Ca 0.15 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1x94 h ALA 28 Cb 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1x94 h ALA 28 CO -0.00 0.45 0.45 1.96 0.00 0.00 0.00 179.25 182.11 1x94 h GLN 29 N 0.16 1.17 -0.88 0.00 1.08 -0.33 0.68 115.11 116.99 1x94 h GLN 29 Ca -0.05 -0.14 0.05 0.00 -1.45 0.00 0.00 58.65 57.06 1x94 h GLN 29 Cb 1.27 -0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 28.42 1x94 h GLN 29 CO 0.12 0.86 0.58 0.82 -0.95 0.00 0.00 178.83 180.26 1x94 h ILE 30 N 1.16 1.09 -0.17 2.54 2.04 -0.76 -1.24 117.51 122.18 1x94 h ILE 30 Ca 0.29 -0.35 -0.20 0.00 1.00 0.00 0.00 64.86 65.60 1x94 h ILE 30 Cb 0.04 -0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1x94 h ILE 30 CO -0.05 0.19 -0.68 -0.08 0.00 0.00 0.00 178.15 177.53 1x94 h GLU 31 N 1.03 0.75 -0.24 2.37 4.81 -1.00 -3.07 114.58 119.24 1x94 h GLU 31 Ca 0.37 -0.59 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1x94 h GLU 31 Cb 0.14 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1x94 h GLU 31 CO -0.13 1.20 0.14 0.00 -0.73 0.00 0.00 179.01 179.49 1x94 h ALA 32 N 0.56 0.30 -0.98 2.92 0.00 -0.34 -1.30 119.26 120.42 1x94 h ALA 32 Ca -0.04 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1x94 h ALA 32 Cb 1.31 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1x94 h ALA 32 CO 0.14 -0.19 0.64 0.00 0.00 0.00 0.00 179.25 179.84 1x94 h ALA 33 N 1.04 1.40 0.00 0.00 0.00 -1.32 -0.29 119.26 120.08 1x94 h ALA 33 Ca 0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1x94 h ALA 33 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1x94 h ALA 33 CO -0.02 0.49 -0.48 0.00 0.00 0.00 0.00 179.25 179.24 1x94 h ALA 34 N 1.45 0.98 -0.03 0.00 0.00 -1.38 -2.74 119.26 117.55 1x94 h ALA 34 Ca 0.40 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1x94 h ALA 34 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1x94 h ALA 34 CO -0.14 0.59 -0.77 -0.22 0.00 0.00 0.00 179.25 178.72 1x94 h LYS 35 N 0.00 0.22 0.67 0.00 1.63 -0.10 -2.65 116.57 116.34 1x94 h LYS 35 Ca -0.00 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.56 1x94 h LYS 35 Cb 0.98 0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.67 1x94 h LYS 35 CO 0.06 0.88 -0.32 -0.07 -3.45 0.00 0.00 179.45 176.55 1x94 h LEU 36 N 0.14 -0.76 -1.23 5.20 3.38 -0.81 -2.20 115.31 119.04 1x94 h LEU 36 Ca -0.03 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.03 1x94 h LEU 36 Cb 1.34 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 42.23 1x94 h LEU 36 CO 0.12 -0.42 0.57 0.40 0.09 0.00 0.00 178.44 179.20 1x94 h ILE 37 N -1.11 0.95 0.46 1.22 2.04 -1.58 -0.27 117.51 119.22 1x94 h ILE 37 Ca -0.09 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1x94 h ILE 37 Cb 0.72 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1x94 h ILE 37 CO 0.15 0.15 -0.22 0.00 0.00 0.00 0.00 178.15 178.23 1x94 h ALA 38 N 1.57 -0.62 -0.37 1.87 0.00 -1.44 0.59 119.26 120.85 1x94 h ALA 38 Ca 0.41 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1x94 h ALA 38 Cb 0.45 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1x94 h ALA 38 CO -0.18 -0.80 0.03 -0.44 0.00 0.00 0.00 179.25 177.87 1x94 h ASP 39 N -0.72 -0.09 -0.43 0.00 3.32 -0.78 0.17 116.42 117.90 1x94 h ASP 39 Ca -0.06 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.13 1x94 h ASP 39 Cb 0.52 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.14 1x94 h ASP 39 CO 0.10 -0.01 0.12 -1.28 -1.72 0.00 0.00 179.24 176.46 1x94 h SER 40 N 0.14 0.08 -0.56 6.45 0.87 -0.93 -1.47 113.55 118.13 1x94 h SER 40 Ca 0.18 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1x94 h SER 40 Cb 0.24 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1x94 h SER 40 CO -0.27 0.08 0.36 -0.26 -0.53 0.00 0.00 176.83 176.21 1x94 h PHE 41 N 0.27 0.71 0.00 2.24 0.04 0.16 0.01 116.94 120.36 1x94 h PHE 41 Ca 0.21 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1x94 h PHE 41 Cb 0.23 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1x94 h PHE 41 CO -0.18 0.45 0.00 0.87 -0.60 0.00 0.00 178.31 178.85 1x94 h LYS 42 N 0.75 0.00 -0.36 1.51 1.57 0.29 0.34 116.57 120.67 1x94 h LYS 42 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1x94 h LYS 42 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1x94 h LYS 42 CO -0.04 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.84 1x94 n GLN 43 N -2.93 3.54 0.00 3.15 -0.00 -0.57 -4.96 117.38 115.60 1x94 n GLN 43 Ca -0.03 -2.93 0.00 0.00 -0.00 0.00 0.00 57.00 54.04 1x94 n GLN 43 Cb 0.07 -1.96 0.00 0.00 -0.00 0.00 0.00 30.24 28.35 1x94 n GLN 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x94 n GLY 44 N -0.12 2.99 3.23 2.61 0.00 0.12 -5.02 105.19 109.00 1x94 n GLY 44 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1x94 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x94 n GLY 45 N -2.00 -3.04 3.31 -0.02 0.00 -0.12 -4.89 105.19 98.43 1x94 n GLY 45 Ca 0.00 -1.28 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 1x94 n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x94 s LYS 46 N -4.35 1.29 -0.17 1.61 -2.85 -1.26 -4.30 119.74 109.71 1x94 s LYS 46 Ca 0.59 -1.65 -0.06 0.00 -1.00 0.00 0.00 55.97 53.86 1x94 s LYS 46 Cb -0.14 -0.50 -0.03 0.00 -2.06 0.00 0.00 37.83 35.10 1x94 s LYS 46 CO 0.54 -0.12 0.01 0.08 0.10 0.00 0.00 175.35 175.97 1x94 s VAL 47 N -3.51 4.36 -0.20 1.79 1.01 0.45 -0.90 120.40 123.40 1x94 s VAL 47 Ca 0.28 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1x94 s VAL 47 Cb 0.06 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1x94 s VAL 47 CO 0.08 0.48 -0.00 -0.76 0.00 0.00 0.00 175.10 174.90 1x94 s LEU 48 N 0.32 3.23 -0.10 3.92 1.43 0.11 -0.82 118.68 126.77 1x94 s LEU 48 Ca -0.00 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1x94 s LEU 48 Cb -0.13 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1x94 s LEU 48 CO 0.01 0.05 -0.17 -0.94 0.23 0.00 0.00 176.35 175.54 1x94 s SER 49 N 1.07 3.73 -0.01 2.29 1.04 -0.08 0.01 113.70 121.74 1x94 s SER 49 Ca 0.02 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1x94 s SER 49 Cb -0.14 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 64.63 1x94 s SER 49 CO 0.01 0.20 -0.05 0.00 0.98 0.00 0.00 173.24 174.39 1x94 s GLY 51 N 0.16 0.59 0.18 0.00 0.00 -1.26 -2.03 107.32 104.96 1x94 s GLY 51 Ca -0.02 -0.44 -0.30 0.00 0.00 0.00 0.00 44.72 43.97 1x94 s GLY 51 CO -0.00 -0.24 1.14 0.21 0.00 0.00 0.00 173.10 174.21 1x94 s ASN 52 N -0.00 7.19 0.00 1.64 2.47 -1.15 -3.41 114.94 121.67 1x94 s ASN 52 Ca -0.00 2.15 0.00 0.00 0.42 0.00 0.00 52.86 55.43 1x94 s ASN 52 Cb -0.07 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 1x94 s ASN 52 CO 0.00 -0.29 0.00 0.61 -3.72 0.00 0.00 177.10 173.70 1x94 n GLY 53 N 2.11 0.00 1.96 1.21 0.00 -1.26 -0.50 105.19 108.72 1x94 n GLY 53 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1x94 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x94 n GLY 54 N 0.00 0.82 0.00 -0.02 0.00 -1.26 -4.72 105.19 100.01 1x94 n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x94 n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x94 n SER 55 N 0.00 0.04 0.20 1.61 2.88 0.35 -4.65 113.62 114.04 1x94 n SER 55 Ca 0.00 -0.35 0.14 0.00 -1.33 0.00 0.00 58.87 57.34 1x94 n SER 55 Cb 0.00 0.58 0.52 0.00 -0.75 0.00 0.00 64.21 64.56 1x94 n SER 55 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 1x94 h HIS 56 N 0.00 0.00 -0.22 0.66 2.07 -1.58 -2.77 115.15 113.32 1x94 h HIS 56 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 1x94 h HIS 56 Cb 0.01 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.98 1x94 h HIS 56 CO 0.00 0.00 -0.02 0.00 -3.07 0.00 0.00 177.93 174.84 1x94 h ASP 58 N 0.15 0.28 -1.00 0.00 3.32 -1.83 -0.65 116.42 116.69 1x94 h ASP 58 Ca 0.06 -0.18 0.11 0.00 0.02 0.00 0.00 57.03 57.03 1x94 h ASP 58 Cb 0.44 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 39.83 1x94 h ASP 58 CO 0.01 0.39 0.63 0.00 -1.72 0.00 0.00 179.24 178.56 1x94 h ALA 59 N 0.90 1.51 -0.17 3.45 0.00 -1.39 -1.51 119.26 122.05 1x94 h ALA 59 Ca 0.07 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1x94 h ALA 59 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1x94 h ALA 59 CO -0.00 0.27 -0.48 0.52 0.00 0.00 0.00 179.25 179.56 1x94 h MET 60 N 1.03 0.45 0.02 0.00 2.86 -0.19 -3.06 114.93 116.04 1x94 h MET 60 Ca 0.48 -0.25 -0.21 0.00 -2.06 0.00 0.00 59.70 57.66 1x94 h MET 60 Cb 0.41 0.02 0.02 0.00 0.06 0.00 0.00 31.60 32.10 1x94 h MET 60 CO -0.24 0.83 -0.83 1.25 1.06 0.00 0.00 176.91 178.99 1x94 h HIS 61 N 0.36 0.79 -0.96 -0.22 6.17 -0.49 -3.08 115.15 117.71 1x94 h HIS 61 Ca 0.02 -0.44 0.20 0.00 0.71 0.00 0.00 60.37 60.85 1x94 h HIS 61 Cb 0.97 -0.08 -0.11 0.00 2.52 0.00 0.00 27.41 30.71 1x94 h HIS 61 CO 0.03 1.28 0.55 0.35 0.71 0.00 0.00 177.93 180.85 1x94 h PHE 62 N 0.07 0.95 -0.49 5.26 3.57 -1.33 0.32 116.94 125.29 1x94 h PHE 62 Ca -0.11 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.36 1x94 h PHE 62 Cb 1.52 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1x94 h PHE 62 CO 0.13 0.15 0.05 0.00 -2.23 0.00 0.00 178.31 176.41 1x94 h ALA 63 N 1.66 0.66 -0.59 2.41 0.00 -1.58 -2.37 119.26 119.45 1x94 h ALA 63 Ca 0.57 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1x94 h ALA 63 Cb 0.94 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1x94 h ALA 63 CO -0.42 0.42 0.22 0.93 0.00 0.00 0.00 179.25 180.40 1x94 h GLU 64 N 0.70 0.89 -0.27 0.00 5.08 -0.42 -1.80 114.58 118.76 1x94 h GLU 64 Ca 0.15 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1x94 h GLU 64 Cb 0.44 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1x94 h GLU 64 CO 0.02 0.77 -0.17 1.49 -1.00 0.00 0.00 179.01 180.12 1x94 h GLU 65 N 0.82 0.47 -0.22 2.33 4.57 -0.71 -0.90 114.58 120.94 1x94 h GLU 65 Ca 0.19 -0.15 -0.19 0.00 -1.18 0.00 0.00 59.36 58.04 1x94 h GLU 65 Cb 0.23 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1x94 h GLU 65 CO -0.01 0.62 -0.62 -0.07 -1.18 0.00 0.00 179.01 177.75 1x94 h LEU 66 N 0.43 0.86 -0.52 1.64 3.38 -1.17 -2.89 115.31 117.04 1x94 h LEU 66 Ca 0.07 -0.49 -0.16 0.00 0.09 0.00 0.00 57.88 57.39 1x94 h LEU 66 Cb 0.54 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1x94 h LEU 66 CO 0.04 1.27 -0.72 0.74 0.09 0.00 0.00 178.44 179.86 1x94 h THR 67 N 0.56 1.45 -0.03 0.22 2.02 -1.14 -2.59 112.91 113.41 1x94 h THR 67 Ca -0.01 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1x94 h THR 67 Cb 1.22 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 1x94 h THR 67 CO 0.13 0.67 0.00 0.61 0.37 0.00 0.00 175.52 177.30 1x94 n GLY 68 N 0.52 -0.63 0.00 2.16 0.00 -0.36 -2.46 105.19 104.42 1x94 n GLY 68 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1x94 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x94 n ARG 69 N -0.52 1.98 0.00 1.61 1.74 -1.10 -4.83 116.66 115.54 1x94 n ARG 69 Ca 0.19 -0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1x94 n ARG 69 Cb 0.17 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 1x94 n ARG 69 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1x94 n TYR 70 N -0.35 0.00 0.12 -1.55 4.02 -0.99 -4.81 117.16 113.60 1x94 n TYR 70 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.98 1x94 n TYR 70 Cb 0.03 0.00 0.57 0.00 -0.02 0.00 0.00 39.34 39.92 1x94 n TYR 70 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1x94 h ARG 71 N 0.00 0.19 -6.00 -0.72 0.11 -1.69 -3.42 114.38 102.86 1x94 h ARG 71 Ca 0.00 -0.01 -0.69 0.00 0.10 0.00 0.00 59.98 59.38 1x94 h ARG 71 Cb 0.31 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.33 1x94 h ARG 71 CO 0.00 0.13 1.39 -1.91 0.10 0.00 0.00 179.97 179.68 1x94 n GLU 72 N -4.50 0.93 -3.09 0.08 2.13 -1.26 -2.65 120.64 112.29 1x94 n GLU 72 Ca 0.02 0.26 -0.19 0.00 0.66 0.00 0.00 57.16 57.90 1x94 n GLU 72 Cb 0.17 -2.32 0.02 0.00 0.27 0.00 0.00 31.44 29.58 1x94 n GLU 72 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1x94 n ASN 73 N 9.41 -7.07 0.00 4.31 3.02 -1.26 -5.03 115.26 118.64 1x94 n ASN 73 Ca 0.43 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 55.30 1x94 n ASN 73 Cb 0.19 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 1x94 n ASN 73 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1x94 n ARG 74 N -0.19 0.00 -2.37 3.52 0.63 -1.09 -5.13 116.66 112.03 1x94 n ARG 74 Ca 0.04 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.61 1x94 n ARG 74 Cb 0.53 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.42 1x94 n ARG 74 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1x94 s PRO 75 N 0.00 3.72 3.12 -0.14 0.04 -1.26 -4.85 135.00 135.62 1x94 s PRO 75 Ca 0.00 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1x94 s PRO 75 Cb 0.00 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1x94 s PRO 75 CO 0.00 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.91 1x94 n GLY 76 N 0.19 -0.24 2.93 0.56 0.00 -1.26 -4.81 105.19 102.57 1x94 n GLY 76 Ca 0.09 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 1x94 n GLY 76 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x94 s TYR 77 N 0.00 1.47 0.26 1.61 4.12 -1.26 -4.94 117.35 118.61 1x94 s TYR 77 Ca 0.00 -0.70 -0.03 0.00 0.02 0.00 0.00 57.07 56.36 1x94 s TYR 77 Cb 0.00 -1.20 0.34 0.00 -1.52 0.00 0.00 41.96 39.58 1x94 s TYR 77 CO 0.00 -0.47 1.82 -1.00 0.02 0.00 0.00 175.55 175.92 1x94 h PRO 78 N 7.95 0.95 -4.51 -1.71 0.13 -1.87 -3.43 132.00 129.50 1x94 h PRO 78 Ca -0.30 -0.18 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 1x94 h PRO 78 Cb 1.14 -0.15 -0.34 0.00 0.13 0.00 0.00 31.00 31.78 1x94 h PRO 78 CO 0.42 0.81 -0.82 0.20 -0.23 0.00 0.00 178.00 178.38 1x94 s GLY 79 N -3.54 0.83 0.06 1.56 0.00 -1.26 0.17 107.32 105.14 1x94 s GLY 79 Ca -0.11 -0.48 0.08 0.00 0.00 0.00 0.00 44.72 44.21 1x94 s GLY 79 CO 0.81 0.26 -0.22 -0.42 0.00 0.00 0.00 173.10 173.53 1x94 s ILE 80 N 0.90 1.83 0.30 0.90 1.01 0.00 -4.58 121.20 121.56 1x94 s ILE 80 Ca -0.10 -1.35 0.10 0.00 0.00 0.00 0.00 60.65 59.31 1x94 s ILE 80 Cb -0.15 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 1x94 s ILE 80 CO 0.01 0.18 -0.10 0.00 0.00 0.00 0.00 174.94 175.03 1x94 s ALA 81 N -0.89 2.97 0.00 9.38 0.00 -1.26 -0.91 121.76 131.05 1x94 s ALA 81 Ca 0.09 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1x94 s ALA 81 Cb -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1x94 s ALA 81 CO 0.03 0.21 0.00 0.44 0.00 0.00 0.00 175.76 176.43 1x94 n ILE 82 N -0.78 0.00 0.30 0.00 -5.35 -0.60 -4.92 119.36 108.01 1x94 n ILE 82 Ca -0.05 0.00 0.18 0.00 -0.27 0.00 0.00 62.75 62.61 1x94 n ILE 82 Cb 0.61 0.00 0.90 0.00 -1.74 0.00 0.00 39.64 39.41 1x94 n ILE 82 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1x94 h ASP 98 N 0.00 0.00 -0.03 7.28 3.58 -1.95 -3.41 116.42 121.88 1x94 h ASP 98 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1x94 h ASP 98 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1x94 h ASP 98 CO 0.00 0.00 0.00 -1.22 -2.88 0.00 0.00 179.24 175.14 1x94 n TYR 99 N -2.86 0.04 -0.30 0.28 0.53 -1.26 -3.77 117.16 109.82 1x94 n TYR 99 Ca -0.01 -0.35 -0.00 0.00 -1.02 0.00 0.00 57.90 56.51 1x94 n TYR 99 Cb 0.14 -0.03 0.13 0.00 -1.03 0.00 0.00 39.34 38.55 1x94 n TYR 99 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 1x94 h VAL 100 N 0.28 1.06 0.14 -0.72 2.07 -1.99 0.26 116.25 117.35 1x94 h VAL 100 Ca 0.00 -0.33 -0.31 0.00 0.82 0.00 0.00 66.70 66.88 1x94 h VAL 100 Cb 0.39 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1x94 h VAL 100 CO 0.00 0.18 -1.51 -0.26 0.02 0.00 0.00 177.57 175.99 1x94 h PHE 101 N 0.97 0.54 0.00 1.57 0.04 -1.85 -3.29 116.94 114.93 1x94 h PHE 101 Ca 0.36 -0.40 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 1x94 h PHE 101 Cb 0.13 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1x94 h PHE 101 CO -0.03 1.42 -0.17 0.66 -0.60 0.00 0.00 178.31 179.59 1x94 h SER 102 N 0.08 0.00 0.96 2.17 4.64 -1.69 -1.61 113.55 118.10 1x94 h SER 102 Ca -0.24 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.97 1x94 h SER 102 Cb 2.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.11 1x94 h SER 102 CO 0.18 0.17 -0.49 0.03 -0.87 0.00 0.00 176.83 175.85 1x94 h ARG 103 N 0.00 0.00 0.00 4.77 3.08 -1.04 -3.01 114.38 118.18 1x94 h ARG 103 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1x94 h ARG 103 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1x94 h ARG 103 CO 0.02 0.49 -0.82 -0.92 -1.07 0.00 0.00 179.97 177.68 1x94 h TYR 104 N 0.00 0.00 0.55 3.04 3.20 -1.37 -2.35 116.97 120.04 1x94 h TYR 104 Ca -0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1x94 h TYR 104 Cb 1.11 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.38 1x94 h TYR 104 CO 0.00 0.82 -0.27 0.28 -1.64 0.00 0.00 178.16 177.35 1x94 h VAL 105 N 0.00 0.26 -0.70 1.81 2.07 -1.38 -0.33 116.25 117.97 1x94 h VAL 105 Ca -0.01 -0.40 0.10 0.00 0.82 0.00 0.00 66.70 67.21 1x94 h VAL 105 Cb 1.58 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 1x94 h VAL 105 CO 0.11 0.04 0.33 -0.33 0.02 0.00 0.00 177.57 177.74 1x94 h GLU 106 N -1.06 0.54 -0.00 1.57 5.08 -1.62 1.04 114.58 120.13 1x94 h GLU 106 Ca -0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1x94 h GLU 106 Cb 0.64 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x94 h GLU 106 CO 0.13 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.50 1x94 h ALA 107 N 1.44 0.01 -0.00 3.43 0.00 -1.41 -3.38 119.26 119.35 1x94 h ALA 107 Ca 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1x94 h ALA 107 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1x94 h ALA 107 CO -0.29 -0.36 -0.41 1.33 0.00 0.00 0.00 179.25 179.52 1x94 n VAL 108 N -4.95 0.00 -2.87 0.00 0.24 -0.14 -5.04 118.33 105.58 1x94 n VAL 108 Ca -0.08 -0.29 -0.33 0.00 -2.04 0.00 0.00 64.34 61.60 1x94 n VAL 108 Cb 0.15 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.47 1x94 n VAL 108 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1x94 s GLY 109 N -1.82 2.43 0.18 7.63 0.00 0.36 -5.04 107.32 111.06 1x94 s GLY 109 Ca 0.04 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1x94 s GLY 109 CO 0.37 0.65 0.06 0.00 0.00 0.00 0.00 173.10 174.17 1x94 s ALA 110 N -2.08 1.26 0.32 3.20 0.00 -1.26 -4.86 121.76 118.33 1x94 s ALA 110 Ca 0.59 -1.63 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 1x94 s ALA 110 Cb -0.10 0.87 -0.12 0.00 0.00 0.00 0.00 23.12 23.77 1x94 s ALA 110 CO 0.15 -0.44 1.46 1.63 0.00 0.00 0.00 175.76 178.56 1x94 n LYS 111 N -0.25 2.44 0.00 0.00 5.02 -1.18 -2.28 118.16 121.91 1x94 n LYS 111 Ca -0.04 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1x94 n LYS 111 Cb 0.64 -2.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 1x94 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x94 n GLY 112 N 1.41 1.60 3.85 0.72 0.00 -0.88 -4.92 105.19 106.97 1x94 n GLY 112 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1x94 n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x94 s ASP 113 N -2.35 4.78 0.03 1.61 1.01 -0.97 -4.63 116.67 116.16 1x94 s ASP 113 Ca 0.00 1.09 0.08 0.00 0.71 0.00 0.00 52.55 54.43 1x94 s ASP 113 Cb 0.00 -1.78 -0.02 0.00 1.01 0.00 0.00 42.92 42.12 1x94 s ASP 113 CO 0.00 -1.76 -0.22 -0.69 0.21 0.00 0.00 175.17 172.71 1x94 s VAL 114 N -3.34 1.77 -0.14 -1.27 1.01 -0.08 -2.59 120.40 115.76 1x94 s VAL 114 Ca 0.60 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1x94 s VAL 114 Cb -0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1x94 s VAL 114 CO 0.52 0.28 0.06 -0.22 0.00 0.00 0.00 175.10 175.74 1x94 s LEU 115 N -1.09 3.84 -0.31 3.92 2.96 -0.71 0.04 118.68 127.33 1x94 s LEU 115 Ca 0.08 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1x94 s LEU 115 Cb -0.09 -1.94 0.10 0.00 0.50 0.00 0.00 46.19 44.76 1x94 s LEU 115 CO 0.01 0.28 0.07 0.12 -1.32 0.00 0.00 176.35 175.51 1x94 s PHE 116 N -0.25 2.38 -0.03 5.38 5.36 0.10 -0.96 117.98 129.96 1x94 s PHE 116 Ca 0.08 -2.11 0.05 0.00 -0.96 0.00 0.00 56.93 53.99 1x94 s PHE 116 Cb -0.12 -2.06 -0.03 0.00 -0.34 0.00 0.00 43.02 40.47 1x94 s PHE 116 CO 0.02 -0.89 -0.17 0.20 -1.46 0.00 0.00 175.22 172.92 1x94 s GLY 117 N 1.39 1.50 -0.12 13.12 0.00 -0.12 -1.54 107.32 121.54 1x94 s GLY 117 Ca 0.09 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1x94 s GLY 117 CO -0.18 -0.84 -0.13 1.08 0.00 0.00 0.00 173.10 173.03 1x94 s LEU 118 N -0.83 2.73 -0.25 0.66 1.02 -0.86 -0.73 118.68 120.42 1x94 s LEU 118 Ca 0.12 -0.31 -0.02 0.00 0.02 0.00 0.00 54.13 53.94 1x94 s LEU 118 Cb -0.10 -1.61 0.14 0.00 0.02 0.00 0.00 46.19 44.64 1x94 s LEU 118 CO 0.01 0.19 0.39 -0.55 0.02 0.00 0.00 176.35 176.41 1x94 s SER 119 N 0.21 0.21 0.37 2.29 0.15 0.19 -2.94 113.70 114.20 1x94 s SER 119 Ca -0.08 0.18 0.10 0.00 0.70 0.00 0.00 55.95 56.84 1x94 s SER 119 Cb -0.15 1.15 0.86 0.00 -1.71 0.00 0.00 66.02 66.16 1x94 s SER 119 CO 0.05 -0.30 1.90 0.71 1.20 0.00 0.00 173.24 176.80 1x94 h THR 120 N 6.18 0.87 -1.04 6.45 1.35 -1.89 -3.15 112.91 121.68 1x94 h THR 120 Ca -0.18 -0.22 -0.49 0.00 -0.55 0.00 0.00 66.41 64.97 1x94 h THR 120 Cb 1.15 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1x94 h THR 120 CO 0.27 0.12 -0.22 -0.94 -0.25 0.00 0.00 175.52 174.49 1x94 s SER 121 N -5.92 5.14 -0.12 5.36 1.04 -1.26 -0.18 113.70 117.75 1x94 s SER 121 Ca -0.09 -0.80 0.17 0.00 0.48 0.00 0.00 55.95 55.70 1x94 s SER 121 Cb 0.21 -0.07 0.66 0.00 0.10 0.00 0.00 66.02 66.93 1x94 s SER 121 CO 0.78 -1.04 1.58 0.61 0.98 0.00 0.00 173.24 176.15 1x94 n GLY 122 N -1.94 2.96 1.65 7.32 0.00 -1.25 -4.41 105.19 109.52 1x94 n GLY 122 Ca 0.09 -0.84 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 1x94 n GLY 122 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x94 n ASN 123 N 0.80 3.99 -4.58 1.61 3.02 -1.26 -1.35 115.26 117.49 1x94 n ASN 123 Ca 0.24 -3.37 -0.43 0.00 -0.03 0.00 0.00 54.58 50.99 1x94 n ASN 123 Cb 0.87 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 1x94 n ASN 123 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1x94 s SER 124 N -1.58 6.55 0.15 6.41 0.01 -1.26 -4.92 113.70 119.06 1x94 s SER 124 Ca 0.51 0.26 -0.23 0.00 1.31 0.00 0.00 55.95 57.80 1x94 s SER 124 Cb 0.42 -2.50 0.03 0.00 0.21 0.00 0.00 66.02 64.18 1x94 s SER 124 CO 0.09 -1.17 1.62 1.23 0.41 0.00 0.00 173.24 175.43 1x94 h GLY 125 N 10.94 -0.19 0.90 3.44 0.00 -1.93 -0.09 103.07 116.14 1x94 h GLY 125 Ca -0.24 0.32 0.12 0.00 0.00 0.00 0.00 47.33 47.54 1x94 h GLY 125 CO 1.08 -0.20 0.44 3.45 0.00 0.00 0.00 176.54 181.31 1x94 h ASN 126 N -0.26 0.34 0.89 0.19 7.08 -1.92 -0.66 115.58 121.24 1x94 h ASN 126 Ca 0.14 0.01 -0.22 0.00 -3.08 0.00 0.00 56.30 53.15 1x94 h ASN 126 Cb 0.48 -0.06 -0.02 0.00 -2.08 0.00 0.00 38.32 36.64 1x94 h ASN 126 CO -0.41 0.19 -1.04 0.40 -2.08 0.00 0.00 177.43 174.49 1x94 h ILE 127 N 0.37 1.65 -0.10 6.14 2.04 -1.65 -2.58 117.51 123.38 1x94 h ILE 127 Ca 0.31 -3.28 -0.00 0.00 1.00 0.00 0.00 64.86 62.89 1x94 h ILE 127 Cb 0.70 2.84 -0.00 0.00 -0.74 0.00 0.00 36.82 39.62 1x94 h ILE 127 CO -0.09 0.94 0.06 -0.07 0.00 0.00 0.00 178.15 179.00 1x94 h LEU 128 N 0.02 0.12 -1.00 1.44 3.38 0.44 -0.85 115.31 118.86 1x94 h LEU 128 Ca -0.04 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1x94 h LEU 128 Cb 1.79 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 1x94 h LEU 128 CO 0.15 0.14 0.12 0.11 0.09 0.00 0.00 178.44 179.04 1x94 h LYS 129 N 0.09 0.84 -0.60 1.13 1.79 -1.40 -1.80 116.57 116.61 1x94 h LYS 129 Ca 0.04 -0.18 0.06 0.00 -2.18 0.00 0.00 60.65 58.39 1x94 h LYS 129 Cb 0.04 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.52 1x94 h LYS 129 CO -0.01 0.76 0.31 0.00 -1.08 0.00 0.00 179.45 179.43 1x94 h ALA 130 N 1.32 0.79 -0.66 3.86 0.00 -1.02 0.15 119.26 123.72 1x94 h ALA 130 Ca 0.17 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1x94 h ALA 130 Cb 0.32 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1x94 h ALA 130 CO 0.00 -0.05 0.28 0.82 0.00 0.00 0.00 179.25 180.31 1x94 h ILE 131 N 0.57 1.23 -0.55 0.00 2.04 -0.41 -1.92 117.51 118.47 1x94 h ILE 131 Ca 0.28 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1x94 h ILE 131 Cb 0.21 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1x94 h ILE 131 CO -0.20 0.28 0.29 -0.33 0.00 0.00 0.00 178.15 178.20 1x94 h GLU 132 N 0.92 0.77 -0.76 2.37 4.39 -0.49 -2.24 114.58 119.54 1x94 h GLU 132 Ca 0.22 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1x94 h GLU 132 Cb 0.18 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 1x94 h GLU 132 CO -0.02 0.60 0.40 0.00 -1.16 0.00 0.00 179.01 178.83 1x94 h ALA 133 N 1.13 1.27 -0.38 3.43 0.00 -0.76 -1.53 119.26 122.42 1x94 h ALA 133 Ca 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1x94 h ALA 133 Cb 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1x94 h ALA 133 CO -0.03 0.58 0.18 0.00 0.00 0.00 0.00 179.25 179.99 1x94 h ALA 134 N 1.37 0.49 -0.90 0.00 0.00 -0.99 -1.95 119.26 117.28 1x94 h ALA 134 Ca 0.27 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1x94 h ALA 134 Cb 0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1x94 h ALA 134 CO -0.04 0.05 0.57 0.87 0.00 0.00 0.00 179.25 180.70 1x94 h LYS 135 N 0.48 1.01 -0.97 0.00 1.57 -1.00 0.37 116.57 118.04 1x94 h LYS 135 Ca 0.13 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1x94 h LYS 135 Cb 0.12 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1x94 h LYS 135 CO -0.02 0.67 0.05 0.00 -0.57 0.00 0.00 179.45 179.58 1x94 n ALA 136 N -2.35 2.82 -1.21 3.86 0.00 -0.61 -2.93 120.51 120.08 1x94 n ALA 136 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1x94 n ALA 136 Cb 0.16 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1x94 n ALA 136 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1x94 n LYS 137 N 0.18 0.00 -1.54 0.00 3.00 -0.15 -5.00 118.16 114.64 1x94 n LYS 137 Ca 0.06 -0.15 -0.04 0.00 -0.00 0.00 0.00 58.31 58.18 1x94 n LYS 137 Cb 0.53 -0.40 -0.01 0.00 0.00 0.00 0.00 35.03 35.15 1x94 n LYS 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x94 n GLY 138 N 0.00 0.48 3.73 3.14 0.00 -0.89 -3.09 105.19 108.57 1x94 n GLY 138 Ca 0.00 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 1x94 n GLY 138 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x94 s MET 139 N -3.16 3.56 0.62 1.61 -1.94 -0.06 -2.07 119.30 117.86 1x94 s MET 139 Ca 0.00 -0.28 -0.13 0.00 -1.71 0.00 0.00 55.69 53.57 1x94 s MET 139 Cb 0.00 -3.11 -0.03 0.00 2.01 0.00 0.00 34.83 33.70 1x94 s MET 139 CO 0.00 0.55 1.04 0.15 -0.01 0.00 0.00 175.02 176.75 1x94 s LYS 140 N -0.41 3.33 0.04 2.03 1.02 -1.07 -3.98 119.74 120.70 1x94 s LYS 140 Ca 0.10 0.98 0.06 0.00 0.02 0.00 0.00 55.97 57.13 1x94 s LYS 140 Cb -0.12 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.13 1x94 s LYS 140 CO 0.02 -0.78 -0.17 0.95 -0.92 0.00 0.00 175.35 174.44 1x94 s THR 141 N -2.84 1.39 -0.07 2.17 -4.23 -1.26 -1.74 115.64 109.05 1x94 s THR 141 Ca 0.59 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.01 1x94 s THR 141 Cb -0.13 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.50 1x94 s THR 141 CO 0.46 0.10 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.93 1x94 s ILE 142 N -0.83 0.87 -0.10 2.99 1.01 -0.14 -1.56 121.20 123.45 1x94 s ILE 142 Ca 0.04 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1x94 s ILE 142 Cb -0.08 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.55 1x94 s ILE 142 CO 0.02 0.31 -0.16 0.00 0.00 0.00 0.00 174.94 175.10 1x94 s ALA 143 N 1.01 1.70 -0.33 9.38 0.00 -0.40 -0.94 121.76 132.18 1x94 s ALA 143 Ca -0.09 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.04 1x94 s ALA 143 Cb -0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 1x94 s ALA 143 CO -0.00 0.04 0.20 -0.51 0.00 0.00 0.00 175.76 175.50 1x94 s LEU 144 N 0.77 4.39 0.00 0.00 1.43 0.09 -1.33 118.68 124.03 1x94 s LEU 144 Ca -0.11 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1x94 s LEU 144 Cb -0.16 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1x94 s LEU 144 CO 0.02 -0.24 0.05 0.35 0.23 0.00 0.00 176.35 176.76 1x94 n THR 145 N 5.05 0.00 -3.86 5.49 -2.24 -0.07 -0.63 114.28 118.02 1x94 n THR 145 Ca -0.13 -1.36 0.00 0.00 -2.27 0.00 0.00 64.05 60.29 1x94 n THR 145 Cb 0.49 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1x94 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x94 n GLY 146 N 0.96 4.27 7.00 3.38 0.00 0.75 -1.24 105.19 120.31 1x94 n GLY 146 Ca -0.07 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1x94 n GLY 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x94 n LYS 147 N 0.00 0.00 -0.76 1.61 5.02 -0.44 -0.83 118.16 122.75 1x94 n LYS 147 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1x94 n LYS 147 Cb 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 35.03 35.33 1x94 n LYS 147 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1x94 n ASP 148 N 3.28 4.63 0.00 4.39 3.85 -1.26 -4.59 116.55 126.84 1x94 n ASP 148 Ca 0.00 -3.10 0.00 0.00 -0.71 0.00 0.00 54.79 50.98 1x94 n ASP 148 Cb 0.00 -0.65 0.00 0.00 -1.35 0.00 0.00 41.12 39.12 1x94 n ASP 148 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1x94 n GLY 149 N -0.11 2.07 7.00 6.12 0.00 -0.01 -4.80 105.19 115.45 1x94 n GLY 149 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1x94 n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x94 n GLY 150 N -2.00 0.89 0.29 -0.02 0.00 -1.26 -1.49 105.19 101.60 1x94 n GLY 150 Ca 0.00 -0.63 0.17 0.00 0.00 0.00 0.00 46.02 45.56 1x94 n GLY 150 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x94 h LYS 151 N 0.00 0.00 -0.36 1.61 1.57 -1.79 -2.03 116.57 115.57 1x94 h LYS 151 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x94 h LYS 151 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1x94 h LYS 151 CO 0.00 0.05 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 1x94 n MET 152 N -3.31 2.06 -1.68 3.15 0.00 -0.46 -4.81 117.12 112.07 1x94 n MET 152 Ca -0.02 -1.62 -0.43 0.00 0.00 0.00 0.00 57.70 55.63 1x94 n MET 152 Cb 0.20 -1.41 -0.03 0.00 0.00 0.00 0.00 33.22 31.98 1x94 n MET 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x94 n ALA 153 N 0.82 1.72 0.00 3.17 0.00 -0.55 -1.00 120.51 124.66 1x94 n ALA 153 Ca 0.17 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1x94 n ALA 153 Cb 0.42 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1x94 n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x94 n GLY 154 N 4.35 2.87 0.29 0.00 0.00 -1.26 -4.88 105.19 106.56 1x94 n GLY 154 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1x94 n GLY 154 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x94 h LEU 155 N 0.00 1.01-10.24 0.99 3.38 -1.38 -3.45 115.31 105.62 1x94 h LEU 155 Ca 0.00 -0.34 -0.49 0.00 0.09 0.00 0.00 57.88 57.14 1x94 h LEU 155 Cb 0.00 -0.28 0.03 0.00 0.09 0.00 0.00 40.66 40.50 1x94 h LEU 155 CO 0.00 1.13 0.26 0.00 0.09 0.00 0.00 178.44 179.92 1x94 s ALA 156 N -4.81 3.22 0.28 1.53 0.00 -1.25 -4.97 121.76 115.75 1x94 s ALA 156 Ca -0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 1x94 s ALA 156 Cb 0.13 -2.89 0.38 0.00 0.00 0.00 0.00 23.12 20.74 1x94 s ALA 156 CO 0.86 -0.30 1.92 -0.44 0.00 0.00 0.00 175.76 177.80 1x94 h ASP 157 N 0.58 0.97 -3.26 0.00 5.19 -1.66 -3.40 116.42 114.84 1x94 h ASP 157 Ca -0.46 -0.06 -0.44 0.00 -0.62 0.00 0.00 57.03 55.45 1x94 h ASP 157 Cb 1.19 -0.24 -0.38 0.00 0.18 0.00 0.00 39.33 40.07 1x94 h ASP 157 CO 0.62 0.75 -0.76 -0.69 -3.12 0.00 0.00 179.24 176.04 1x94 s VAL 158 N -5.80 0.32 -0.14 -1.35 1.01 -0.60 -5.01 120.40 108.83 1x94 s VAL 158 Ca -0.12 0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1x94 s VAL 158 Cb 0.17 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1x94 s VAL 158 CO 0.80 0.21 -0.19 -0.70 0.00 0.00 0.00 175.10 175.22 1x94 s GLU 159 N 1.99 3.12 -0.25 2.72 2.12 -1.26 -1.28 118.70 125.86 1x94 s GLU 159 Ca 0.05 -0.81 -0.06 0.00 0.36 0.00 0.00 54.97 54.51 1x94 s GLU 159 Cb -0.13 -2.50 -0.01 0.00 0.26 0.00 0.00 34.13 31.76 1x94 s GLU 159 CO -0.05 0.04 0.03 0.42 -0.54 0.00 0.00 175.26 175.16 1x94 s ILE 160 N 0.71 3.78 -0.14 -3.70 1.01 -0.44 -4.89 121.20 117.53 1x94 s ILE 160 Ca -0.09 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1x94 s ILE 160 Cb -0.16 -2.82 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 1x94 s ILE 160 CO 0.01 0.28 -0.16 -0.60 0.00 0.00 0.00 174.94 174.46 1x94 s ARG 161 N 1.51 3.21 -0.13 2.79 3.52 -1.26 -0.89 118.95 127.70 1x94 s ARG 161 Ca 0.05 -0.76 -0.25 0.00 -0.13 0.00 0.00 55.73 54.63 1x94 s ARG 161 Cb -0.16 -2.58 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 1x94 s ARG 161 CO 0.00 0.06 0.82 0.08 -0.81 0.00 0.00 175.30 175.45 1x94 s VAL 162 N 0.71 4.92 -1.22 7.11 1.01 -0.37 -4.96 120.40 127.59 1x94 s VAL 162 Ca -0.07 1.63 -0.19 0.00 0.00 0.00 0.00 61.98 63.35 1x94 s VAL 162 Cb -0.16 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1x94 s VAL 162 CO 0.01 0.09 1.93 -0.81 0.00 0.00 0.00 175.10 176.32 1x94 n PRO 163 N 4.79 2.44 -3.74 2.72 -0.04 -1.26 -2.79 135.00 137.12 1x94 n PRO 163 Ca 0.03 -2.69 -0.13 0.00 -0.04 0.00 0.00 63.50 60.68 1x94 n PRO 163 Cb 0.50 -3.41 -0.13 0.00 -0.04 0.00 0.00 33.50 30.41 1x94 n PRO 163 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1x94 s HIS 164 N 5.80 -0.28 -0.18 0.54 2.46 -1.26 -4.87 115.29 117.50 1x94 s HIS 164 Ca 0.57 0.69 0.16 0.00 0.47 0.00 0.00 55.06 56.95 1x94 s HIS 164 Cb 0.07 0.02 0.41 0.00 -0.13 0.00 0.00 32.58 32.95 1x94 s HIS 164 CO 0.06 -0.21 1.28 1.19 -2.47 0.00 0.00 174.74 174.60 1x94 n PHE 165 N 4.08 0.42 0.00 3.88 3.01 -1.26 -1.33 117.46 126.25 1x94 n PHE 165 Ca -0.24 -1.11 0.00 0.00 1.01 0.00 0.00 57.45 57.10 1x94 n PHE 165 Cb 0.53 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 1x94 n PHE 165 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x94 n GLY 166 N -1.09 2.26 3.83 1.37 0.00 -1.26 -5.05 105.19 105.25 1x94 n GLY 166 Ca 0.20 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 1x94 n GLY 166 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x94 s TYR 167 N 4.40 2.77 0.32 1.61 5.04 -1.26 -4.98 117.35 125.24 1x94 s TYR 167 Ca 0.00 0.91 0.01 0.00 -2.44 0.00 0.00 57.07 55.55 1x94 s TYR 167 Cb 0.00 -3.33 0.53 0.00 0.35 0.00 0.00 41.96 39.52 1x94 s TYR 167 CO 0.00 -1.98 1.95 0.00 -1.34 0.00 0.00 175.55 174.18 1x94 h ALA 168 N -1.22 1.43 -0.79 3.97 0.00 -1.99 -3.35 119.26 117.31 1x94 h ALA 168 Ca -0.48 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.41 1x94 h ALA 168 Cb 1.31 -0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 1x94 h ALA 168 CO 0.63 0.48 -0.48 0.38 0.00 0.00 0.00 179.25 180.25 1x94 h ASP 169 N 0.89 -1.77 -0.45 0.00 -0.00 -1.98 0.51 116.42 113.62 1x94 h ASP 169 Ca 0.23 0.27 0.05 0.00 -0.00 0.00 0.00 57.03 57.58 1x94 h ASP 169 Cb 0.00 0.78 -0.02 0.00 -0.00 0.00 0.00 39.33 40.09 1x94 h ASP 169 CO -0.04 -0.20 0.30 0.03 -0.00 0.00 0.00 179.24 179.33 1x94 h ARG 170 N -0.02 0.37 -0.04 4.15 2.47 -1.99 -0.57 114.38 118.75 1x94 h ARG 170 Ca 0.13 -0.02 -0.17 0.00 -1.26 0.00 0.00 59.98 58.66 1x94 h ARG 170 Cb 0.35 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1x94 h ARG 170 CO -0.75 0.25 -0.64 0.82 0.56 0.00 0.00 179.97 180.20 1x94 h ILE 171 N 0.38 1.38 -0.53 2.04 2.04 -1.04 -2.91 117.51 118.88 1x94 h ILE 171 Ca 0.19 -2.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.02 1x94 h ILE 171 Cb 0.28 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 1x94 h ILE 171 CO -0.05 0.60 0.29 1.56 0.00 0.00 0.00 178.15 180.56 1x94 h GLN 172 N 0.05 0.72 -0.46 2.37 4.20 0.54 -1.42 115.11 121.10 1x94 h GLN 172 Ca -0.07 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 1x94 h GLN 172 Cb 1.32 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 1x94 h GLN 172 CO 0.13 0.53 -0.07 0.93 -0.67 0.00 0.00 178.83 179.67 1x94 h GLU 173 N 0.73 0.82 0.00 1.46 5.08 -1.12 -2.49 114.58 119.06 1x94 h GLU 173 Ca 0.19 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1x94 h GLU 173 Cb 0.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1x94 h GLU 173 CO -0.03 0.87 -0.62 0.28 -1.00 0.00 0.00 179.01 178.51 1x94 h VAL 174 N 0.75 1.10 -0.64 3.13 2.07 -1.21 -3.08 116.25 118.36 1x94 h VAL 174 Ca 0.13 -2.44 -0.06 0.00 0.82 0.00 0.00 66.70 65.15 1x94 h VAL 174 Cb 0.55 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 1x94 h VAL 174 CO 0.03 0.60 0.18 0.45 0.02 0.00 0.00 177.57 178.86 1x94 h HIS 175 N 0.00 1.06 -0.69 1.57 3.86 -0.96 -1.50 115.15 118.49 1x94 h HIS 175 Ca -0.01 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 1x94 h HIS 175 Cb 1.42 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 29.55 1x94 h HIS 175 CO 0.00 0.87 0.36 0.82 0.86 0.00 0.00 177.93 180.84 1x94 h ILE 176 N 0.94 1.21 -0.40 2.45 2.04 -1.40 -0.57 117.51 121.79 1x94 h ILE 176 Ca 0.20 -0.56 -0.11 0.00 1.00 0.00 0.00 64.86 65.39 1x94 h ILE 176 Cb 0.32 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1x94 h ILE 176 CO -0.00 0.24 -0.18 0.11 0.00 0.00 0.00 178.15 178.32 1x94 h LYS 177 N 0.97 0.82 -0.19 2.37 1.57 -1.36 -1.68 116.57 119.07 1x94 h LYS 177 Ca 0.24 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1x94 h LYS 177 Cb 0.06 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1x94 h LYS 177 CO -0.04 0.99 0.06 0.82 -0.57 0.00 0.00 179.45 180.71 1x94 h ILE 178 N 0.63 0.95 -0.41 1.86 2.04 -0.77 -0.33 117.51 121.48 1x94 h ILE 178 Ca 0.09 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.95 1x94 h ILE 178 Cb 0.74 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1x94 h ILE 178 CO 0.06 0.03 0.13 0.40 0.00 0.00 0.00 178.15 178.76 1x94 h ILE 179 N 0.15 0.85 -0.47 -0.67 2.04 -1.03 0.32 117.51 118.69 1x94 h ILE 179 Ca 0.08 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1x94 h ILE 179 Cb 0.05 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1x94 h ILE 179 CO -0.09 0.05 0.27 0.45 0.00 0.00 0.00 178.15 178.83 1x94 h HIS 180 N 0.28 0.63 -0.15 1.37 3.86 -0.84 -1.64 115.15 118.66 1x94 h HIS 180 Ca 0.19 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1x94 h HIS 180 Cb 0.20 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1x94 h HIS 180 CO -0.17 0.46 0.02 0.82 0.86 0.00 0.00 177.93 179.93 1x94 h ILE 181 N 0.62 1.22 -0.72 2.45 2.04 -0.55 -3.04 117.51 119.53 1x94 h ILE 181 Ca 0.17 -0.72 0.11 0.00 1.00 0.00 0.00 64.86 65.42 1x94 h ILE 181 Cb 0.02 1.41 -0.08 0.00 -0.74 0.00 0.00 36.82 37.44 1x94 h ILE 181 CO -0.03 0.21 0.34 0.40 0.00 0.00 0.00 178.15 179.07 1x94 h ILE 182 N 0.03 0.78 -0.86 -0.67 2.04 -0.23 -2.42 117.51 116.18 1x94 h ILE 182 Ca 0.05 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.76 1x94 h ILE 182 Cb 0.31 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 1x94 h ILE 182 CO 0.00 0.10 0.55 0.40 0.00 0.00 0.00 178.15 179.20 1x94 h ILE 183 N 0.55 1.12 -0.00 -0.67 2.04 -1.19 -1.90 117.51 117.45 1x94 h ILE 183 Ca 0.37 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1x94 h ILE 183 Cb 0.45 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1x94 h ILE 183 CO -0.31 0.19 -0.12 0.00 0.00 0.00 0.00 178.15 177.91 1x94 n GLN 184 N -4.56 0.08 0.13 2.37 10.64 -0.95 -3.06 117.38 122.01 1x94 n GLN 184 Ca 0.11 -0.02 -0.24 0.00 -1.83 0.00 0.00 57.00 55.02 1x94 n GLN 184 Cb 0.11 -1.50 -0.16 0.00 -0.86 0.00 0.00 30.24 27.83 1x94 n GLN 184 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1x94 h LEU 185 N 0.04 0.78 -1.24 2.61 3.38 -0.95 -3.15 115.31 116.79 1x94 h LEU 185 Ca 0.00 -0.93 0.09 0.00 0.09 0.00 0.00 57.88 57.14 1x94 h LEU 185 Cb 0.48 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1x94 h LEU 185 CO 0.00 1.73 0.56 0.40 0.09 0.00 0.00 178.44 181.22 1x94 h ILE 186 N 0.12 0.98 -0.59 1.22 2.04 -1.31 0.71 117.51 120.68 1x94 h ILE 186 Ca -0.28 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 1x94 h ILE 186 Cb 2.14 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1x94 h ILE 186 CO 0.25 0.16 0.18 -0.08 0.00 0.00 0.00 178.15 178.65 1x94 h GLU 187 N 0.86 0.92 -0.06 2.37 4.81 -1.56 0.12 114.58 122.05 1x94 h GLU 187 Ca 0.39 -0.20 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 1x94 h GLU 187 Cb 0.39 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1x94 h GLU 187 CO -0.16 0.83 -0.59 0.87 -0.73 0.00 0.00 179.01 179.23 1x94 h LYS 188 N 0.84 0.18 -0.18 1.92 1.57 -0.94 0.16 116.57 120.12 1x94 h LYS 188 Ca 0.19 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1x94 h LYS 188 Cb 0.30 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1x94 h LYS 188 CO -0.00 0.72 0.10 0.93 -0.57 0.00 0.00 179.45 180.63 1x94 h GLU 189 N 0.14 0.25 -0.56 3.15 4.39 0.94 -2.30 114.58 120.59 1x94 h GLU 189 Ca -0.00 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 1x94 h GLU 189 Cb 1.08 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 1x94 h GLU 189 CO 0.09 0.22 0.01 0.52 -1.16 0.00 0.00 179.01 178.69 1x94 h MET 190 N 0.20 0.95 0.00 2.33 2.86 -0.60 -3.51 114.93 117.16 1x94 h MET 190 Ca 0.06 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1x94 h MET 190 Cb 0.05 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1x94 h MET 190 CO -0.01 0.93 0.00 0.00 1.06 0.00 0.00 176.91 178.89